Home Aminos methyl 3-[(3-aminopyridin-2-yl)sulfanyl]propanoate

methyl 3-[(3-aminopyridin-2-yl)sulfanyl]propanoate

CAS No.:
111042-83-2
Catalog Number:
AG01A6UP
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
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Product Description
Catalog Number:
AG01A6UP
Chemical Name:
methyl 3-[(3-aminopyridin-2-yl)sulfanyl]propanoate
CAS Number:
111042-83-2
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD12092176
IUPAC Name:
methyl 3-(3-aminopyridin-2-yl)sulfanylpropanoate
InChI:
InChI=1S/C9H12N2O2S/c1-13-8(12)4-6-14-9-7(10)3-2-5-11-9/h2-3,5H,4,6,10H2,1H3
InChI Key:
FNEJPONGCIXTPZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1ncccc1N
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties